SCHEMBL1725607

SCHEMBL1725607

Cc1nn(C)c(N)c1-c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
MAPK14 Q16539 1/20 0.41
SLC34A1 Q06495 4/20 0.38
ALK Q9UM73 3/20 0.38
ADORA2A P29274 1/20 0.38
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
NTRK2 Q16620 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.36
GRM5 P41594 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29520229 0.85 HSD11B1 (0.47) MAPTMAPK14ALKDPP4KMT2A
SCHEMBL30415275 0.85 MAPT (0.46) MAPTPGRNR3C2MAPK14ALK
SCHEMBL173619 0.85 HSD11B1 (0.47) MAPTMAPK14ALKDPP4KMT2A
SCHEMBL16402315 0.85 MAPT (0.46) MAPTADORA2ADPP4MEN1KMT2A
SCHEMBL28294976 0.81 MAPT (0.60) MAPTMAPK14KDM4EMEN1POLB
SCHEMBL29135138 0.81 SLC2A1 (0.38) PGRNR3C2ADORA2ADPP4POLB
SCHEMBL20074778 0.78 SLC34A1 (0.41) PGRNR3C2MAPK14SLC34A1ADORA2A
SCHEMBL1719539 0.77 MAPT (0.69) MAPTMAPK14MEN1POLBKMT2A
SCHEMBL1725932 0.76 PGR (0.40) PGRNR3C2MAPK14SLC34A1ALK
SCHEMBL9997781 0.76 SLC34A1 (0.41) MAPTPGRNR3C2SLC34A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPT 4737/4885PGR 551/4885NR3C2 318/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 MAPT 4737/4885PGR 551/4885NR3C2 318/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPT 4737/4885PGR 551/4885NR3C2 318/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPT 4737/4885PGR 551/4885NR3C2 318/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.